N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine

C12H22N4O — CID 112635403

IUPACN'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nc(C)cc(OCC)n1
InChIInChI=1S/C12H22N4O/c1-5-13-7-8-16(4)12-14-10(3)9-11(15-12)17-6-2/h9,13H,5-8H2,1-4H3
InChIKeyJFRPARDVAKHRSA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.23
Rot. Bonds7

About N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine

N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 112635403) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID112635403
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nc(C)cc(OCC)n1
InChIInChI=1S/C12H22N4O/c1-5-13-7-8-16(4)12-14-10(3)9-11(15-12)17-6-2/h9,13H,5-8H2,1-4H3
InChIKeyJFRPARDVAKHRSA-UHFFFAOYSA-N
XLogP1.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112635405
N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115355568
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772
4-ethoxy-N,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 112635056
N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine
CID 112639133
N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
CID 112634666
N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine
CID 114789767
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115975050

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine (CID 112635403) is N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)c1nc(C)cc(OCC)n1.
What is the InChIKey of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is JFRPARDVAKHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-13-7-8-16(4)12-14-10(3)9-11(15-12)17-6-2/h9,13H,5-8H2,1-4H3.
What are the key properties of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 112635403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).